Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50088302
Substrate
n/a
Meas. Tech.
ChEMBL_39630 (CHEMBL649937)
IC50
1.5±n/a nM
Citation
 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Discovery of novel, potent, and selective small-molecule CCR5 antagonists as anti-HIV-1 agents: synthesis and biological evaluation of anilide derivatives with a quaternary ammonium moiety. J Med Chem 43:2049-63 (2000) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 5
Synonyms:
C-C CKR-5 | C-C chemokine receptor type 5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5/mu opioid receptor complex | CCR5_HUMAN | CD_antigen=CD195 | CHEMR13 | CMKBR5 | HIV-1 fusion coreceptor
Type:
Enzyme
Mol. Mass.:
40540.21
Organism:
Homo sapiens (Human)
Description:
P51681
Residue:
352
Sequence:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
  
Inhibitor
Name:
BDBM50088302
Synonyms:
CHEMBL56565 | Dimethyl-(tetrahydro-pyran-4-yl)-(4-{[7-(4-trifluoromethyl-phenyl)-2,3-dihydro-benzo[b]oxepine-4-carbonyl]-amino}-benzyl)-ammonium; iodide
Type:
Small organic molecule
Emp. Form.:
C32H34F3N2O3
Mol. Mass.:
551.6186
SMILES:
C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3OCC2)-c2ccc(cc2)C(F)(F)F)cc1)C1CCOCC1 |t:11|
Structure:
Search PDB for entries with ligand similarity: